>compound L-Norvaline_L-Norvaline
#instrument UPLC Q-Tof Premier, Waters
>formula C5H11NO2
#smiles CCC[C@H](N)C(O)=O
#RECORD LC-ESI-QTOF_train_data/PR100584.txt;LC-ESI-QTOF_train_data/PR100171.txt
>charge -1
>ionization [M-H]-
>parentmass 116.07117

>collision 5-60
115.9259 3.958
116.0712 158.2

>collision 5-60
72.0813 847.8
118.0868 61.22

